1-Amino-5-chloroanthraquinone
TL;DR: 1-Amino-5-chloroanthraquinone (CAS 117-11-3) is a chemical compound with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-5-chloroanthracene-9,10-dione
Also Known As: 1-AMINO-5-CHLOROANTHRAQUINONE, 1-amino-5-chloroanthracene-9,10-dione, 1-Chloro-5-aminoanthraquinone, 9,10-Anthracenedione, 1-amino-5-chloro-, 1-Chlor-5-aminoanthrachinon
| Molecular Formula | C14H8ClNO2 |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.02435 |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 117-11-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)Cl |
| InChIKey | QIHMGEKACAOTPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-5-chloroanthraquinone (CAS 117-11-3), with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol. IUPAC: 1-amino-5-chloroanthracene-9,10-dione.
Chemical Property Profile of 1-Amino-5-chloroanthraquinone
Property Insights of 1-Amino-5-chloroanthraquinone
The XLogP value of 3.4 indicates that 1-Amino-5-chloroanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-5-chloroanthraquinone. Following Lipinski's Rule of Five, 1-Amino-5-chloroanthraquinone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Amino-5-chloroanthraquinone?
The CAS number of 1-Amino-5-chloroanthraquinone is 117-11-3.
What is the molecular formula of 1-Amino-5-chloroanthraquinone?
The molecular formula of 1-Amino-5-chloroanthraquinone is C14H8ClNO2.
What is the molecular weight of 1-Amino-5-chloroanthraquinone?
The molecular weight of 1-Amino-5-chloroanthraquinone is 257.02 g/mol.
Where can I buy 1-Amino-5-chloroanthraquinone?
You can request a quote for 1-Amino-5-chloroanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-5-chloroanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-5-chloroanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.